N4-butyl-3-[(4-chlorophenyl)sulfanylmethyl]-N5-propyl-1,2-oxazole-4,5-dicarboxamide

Systemtic Name: N4-butyl-3-[(4-chlorophenyl)sulfanylmethyl]-N5-propyl-1,2-oxazole-4,5-dicarboxamide Openeye Name: N4-butyl-3-[(4-chlorophenyl)sulfanylmethyl]-N5-propyl-isoxazole-4,5-dicarboxamide CAS Name: N4-butyl-3-[[(4-chlorophenyl)thio]methyl]-N5-propylisoxazole-4,5-dicarboxamide IUPAC Name: 4-N-butyl-3-[(4-chlorophenyl)sulfanylmethyl]-5-N-propyl-1,2-oxazole-4,5-dicarboxamide Traditional Name: N-butyl-3-[[(4-chlorophenyl)thio]methyl]-N'-propyl-isoxazole-4,5-dicarboxamide Formula: C19H24ClN3O3S MolecularWeight: 409.93016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCCC

Isomeric SMILES

CCCCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCCC

InChI

InChI=1S/C19H24ClN3O3S/c1-3-5-11-22-18(24)16-15(12-27-14-8-6-13(20)7-9-14)23-26-17(16)19(25)21-10-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,21,25)(H,22,24)